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1.
J Mol Model ; 30(8): 287, 2024 Jul 27.
Artigo em Inglês | MEDLINE | ID: mdl-39066914

RESUMO

CONTEXT: Nonlinear optics (NLO) is an interesting field that discloses the interaction between intense light and matter, leading to a deeper understanding of NLO phenomena. Organic chromophores are considered as promising materials for NLO due to their exceptional structural versatility, ease of processing, and rapid response to NLO effects. Functional materials based on thiophene have been indispensable in advancing organic optoelectronics. Specifically, dithiophene-based compounds display weaker aromaticity, reduced steric hindrance, and additional sulfur-sulfur interactions. Hence, by utilizing dithieno[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']dithiophene (DTBDT) as the core structure, designing of a set of organic compounds with D1-π-D2-π-A-type framework, namely ZR1D1-ZR1D8, was carried out in this study. The analysis of frontier molecular orbitals (FMOs) revealed that compound ZR1D2 has the lowest band gap of 1.922 eV among all the investigated chromophores. The correlation of global reactivity parameters (GRPs) with the band gap values indicates that ZR1D2 displays a hardness of 0.961 eV and a softness of 0.520 eV-1. Among the studied compounds, ZR1D2 demonstrated a broad absorption spectrum that extended across the visible region. The maximum absorption wavelengths were observed at 766.470 nm for ZR1D2 and 749.783 nm for ZR1D5. These DTBDT-based dyes exhibit a remarkable NLO response with exceptionally high first hyperpolarizability (ßtot) values. Among them, compound ZR1D2 stands out with the highest average linear polarizability (⟨α⟩ = 3.0 × 10-22 esu), first hyperpolarizability (ßtot = 4.1 × 10-27 esu), and second hyperpolarizability (γtot = 7.5 × 10-32 esu) values. In summary, this investigation offers valuable insights into the potential use of DTBDT-based organic chromophores, particularly ZR1D2, for advanced applications in NLO. These findings suggest promising opportunities for researchers to synthesize these molecules and utilize these compounds in hi-tech NLO-based applications. METHODOLOGY: The density functional theory computations were performed at the M06/6-311G(d,p) functional to explore their structural effects on electronic and NLO findings. Various analyses like highest occupied molecular orbital-lowest unoccupied molecular orbital energy gaps, absorption maxima, density of states, open circuit voltage, binding energies of electrons and holes, and transition density matrix are employed to investigate photovoltaic efficiencies of the derivatives. Different software packages like Avogadro, Multiwfn, Origin, GaussSum, PyMOlyze, and Chemcraft were used to deduce conclusions from the output files.

2.
Cureus ; 16(1): e52664, 2024 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-38380217

RESUMO

Demodex blepharitis is marked by an excessive presence of Demodex mites on the eyelids, particularly in the lash follicles. While these microscopic mites are a natural component of the skin microbiota, their overabundance can lead to ocular complications. Symptoms associated with Demodex blepharitis include eyelid itching, inflammation, and ocular irritation. Our objective is to investigate Lotilaner as a potential treatment for Demodex blepharitis, assessing both the safety and efficacy of the ophthalmic formula in managing this disease. We conducted research in Web of Science, PubMed, Cochrane Library, and Scopus up to November 2023. The quality of studies was evaluated using the Cochrane Risk of Bias tool, and it was employed to evaluate the quality of evidence. Our meta-analysis was executed using Review Manager 5.4. We evaluated the safety and efficacy of Lotilaner ophthalmic solution with a concentration of 0.25%. The following outcomes were assessed: clinically meaningful reduction in collarette, collarette cure, composite cure, drop comfort, erythema cure, mite density, and mite eradication. In the case of dichotomous data, we used the risk ratio (RR) with a 95% confidence interval (CI). In our analysis, all included studies, comprising a total of 891 participants, consistently reported clinically meaningful reductions in collarettes. The findings were statistically significant, with Lotilaner demonstrating a substantially higher reduction compared to the vehicle group (RR = 3.09, 95% CI [2.65-3.60]; P-value < 0.0001). Notably, results for Drop Comfort outcomes were nonsignificant, indicating no discernible differences compared to the group that used the vehicle (RR = 1.03, 95% CI [0.98-1.07]; P-value = 0.26). However, both mite density and mite eradication outcomes exhibited significant improvements with Lotilaner in comparison to the vehicle (RR = 2.58, 95% CI [2.25-2.95]; P-value < 0.0001) and (RR = 3.80, 95% CI [2.88-5.01]; P-value < 0.0001). The Lotilaner ophthalmic solution at 0.25% showed superior efficacy over the vehicle in reducing collarettes, achieving complete mite eradication within six weeks, and significantly decreasing erythema in Demodex blepharitis. It demonstrated safety with no reported side effects compared to the vehicle. Direct comparative studies with alternative treatments are recommended for a comprehensive assessment of efficacy and safety.

3.
Neurosurg Focus ; 43(5): E7, 2017 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-29088943

RESUMO

Intracranial pressure (ICP) monitoring has been widely accepted in the management of traumatic brain injury. However, its use in other pathologies that affect ICP has not been advocated as strongly, especially in CNS infections. Despite the most aggressive and novel antimicrobial therapies for meningitis, the mortality rate associated with this disease is far from satisfactory. Although intracranial hypertension and subsequent death have long been known to complicate meningitis, no specific guidelines targeting ICP monitoring are available. A review of the literature was performed to understand the pathophysiology of elevated ICP in meningitis, diagnostic challenges, and clinical outcomes in the use of ICP monitoring.


Assuntos
Lesões Encefálicas Traumáticas/diagnóstico por imagem , Lesões Encefálicas/diagnóstico por imagem , Pressão Intracraniana/fisiologia , Monitorização Fisiológica , Lesões Encefálicas/fisiopatologia , Circulação Cerebrovascular/fisiologia , Humanos , Hipertensão Intracraniana/diagnóstico por imagem , Monitorização Fisiológica/métodos
4.
J Ayub Med Coll Abbottabad ; 23(1): 70-2, 2011.
Artigo em Inglês | MEDLINE | ID: mdl-22830151

RESUMO

BACKGROUND: Alanine Aminotransferase (ALT) is an enzyme found in liver and indicates injury to hepatocytes. It is influenced by various factors. The objectives of this study were to identify the correlates of ALT activity among healthy medical students of Army Medical College, National University of Sciences and Technology, aged 18-22 years. This was to establish the mean ALT levels of the students and compare them with those in various parts of the world and observe various correlations that exist and factors that may influence ALT levels. METHODS: This population included 143 volunteer students (93 men and 50 women) selected on the basis of negative answers to a detailed medical questionnaire including past medical history, drug and alcohol consumption, on the absence of clinical signs of liver disease, on the negativity of serological testing for Hepatitis B and C virus. RESULTS: The mean ALT level of the entire population was 28.7 IU/L. A major sex-difference in ALT value was observed, the mean ALT value being higher in men than in women (32.1 +/- 21.7 vs. 22.6 +/- 9.7 IU/L, p<0.004). According to WHO criteria for Asians, normal BMI was taken from 18.5-23.0 Kg/m2. There was a positive significant correlation between serum ALT level and BMI (p<0.002). ALT level strongly correlates with body mass index and gender. There was no significant variation in ALT levels among Punjabis and Sindhis, Balochis, Pathans, and Kashmiris. CONCLUSION: We suggest the need of taking into account these parameters in a clinical interpretation of ALT level.


Assuntos
Alanina Transaminase/sangue , Índice de Massa Corporal , Etnicidade/estatística & dados numéricos , Estudantes de Medicina , Adolescente , Feminino , Humanos , Masculino , Paquistão , Fatores Sexuais , Estudantes de Medicina/estatística & dados numéricos , Adulto Jovem
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